ethyl 4-[2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[6-(2-methoxyphenyl)-3-pyridazinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[6-(2-methoxyphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[6-(2-methoxyphenyl)pyridazin-3-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H21N3O4S/c1-3-29-22(27)15-8-10-16(11-9-15)23-20(26)14-30-21-13-12-18(24-25-21)17-6-4-5-7-19(17)28-2/h4-13H,3,14H2,1-2H3,(H,23,26)